{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.331987 2.725643 2.897481 ] [ 2.736578 2.541304 1.125105 ] [ 1.73273 1.005545 4.481047 ] [ 2.473311 4.730527 2.221702 ] [ 3.99816 2.852734 3.21894 ] [ 4.698265 3.839392 1.5336 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.331987e-10 2.725643e-10 2.897481e-10 ] [ 2.736578e-10 2.541304e-10 1.125105e-10 ] [ 1.73273e-10 1.005545e-10 4.481047e-10 ] [ 2.473311e-10 4.730527000000001e-10 2.221702e-10 ] [ 3.99816e-10 2.852734e-10 3.21894e-10 ] [ 4.698265e-10 3.839392e-10 1.5336e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5902058 -0.8082192 1.1359815 ] [ 0.2338316 -0.4554924 -1.1054384 ] [ 0.4746509 1.2877121 -0.9082078 ] [ 0.1370404 0.4185463 0.1015841 ] [ -1.1601905 -2.0158821 3.1056706 ] [ 0.9048734 1.5733354 -2.32959 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.456139342205606e-10 -1.294909906721679e-09 1.820043000961315e-09 ] [ 3.746395227242573e-10 -7.297792742320819e-10 -1.771107560214559e-09 ] [ 7.604745750216787e-10 2.063142220941272e-09 -1.455109303988202e-09 ] [ 2.195629249850803e-10 6.70585096582343e-10 1.627556700650093e-10 ] [ -1.858830094774262e-09 -3.229799170909208e-09 4.975832827225909e-09 ] [ 1.449767006263807e-09 2.520761194557016e-09 -3.732414634049472e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.818198 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.534354701878532e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0397237 3.1137615 2.4947272 ] [ 2.5774732 1.9133984 1.1311451 ] [ 2.4228361 1.4327557 3.45708 ] [ 2.6700463 4.7055313 2.9320563 ] [ 4.0531602 3.024525 3.8944008 ] [ 4.2077915 3.5051732 1.5684656 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0397237e-10 3.1137615e-10 2.4947272e-10 ] [ 2.5774732e-10 1.9133984e-10 1.1311451e-10 ] [ 2.4228361e-10 1.4327557e-10 3.45708e-10 ] [ 2.6700463e-10 4.7055313e-10 2.9320563e-10 ] [ 4.0531602e-10 3.024525e-10 3.8944008e-10 ] [ 4.2077915e-10 3.505173200000001e-10 1.5684656e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.1e-06 2.5e-06 7.2e-06 ] [ -3.1e-06 4.4e-06 2.6e-06 ] [ 1.5e-06 -2.2e-06 -4e-06 ] [ -1.08e-05 1.3e-06 -8.5e-06 ] [ -1e-07 -2.9e-06 -6e-07 ] [ 8.3e-06 -3.1e-06 3.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.568924145279999e-15 4.005441552e-15 1.153567166976e-14 ] [ -4.96674752448e-15 7.04957713152e-15 4.16565921408e-15 ] [ 2.4032649312e-15 -3.52478856576e-15 -6.4087064832e-15 ] [ -1.730350750464e-14 2.08282960704e-15 -1.36185012768e-14 ] [ -1.6021766208e-16 -4.646312200320001e-15 -9.6130597248e-16 ] [ 1.329806595264e-14 -4.96674752448e-15 5.126965186560001e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.930693 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.033031374014222e-18 } }